SCHEMBL29311459

SCHEMBL29311459

O=c1c(OC(F)(F)F)cccn1SS

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 4/20 0.33
KDM4E B2RXH2 1/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
GAA P10253 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
GRIA1 P42261 1/20 0.30
CACNG8 Q8WXS5 1/20 0.30
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29311482 0.77 CA1 (0.38) KDM4EPOLBGAAALDH1A1L3MBTL1
SCHEMBL29311478 0.77 DRD1 (0.33) KDM4EALDH1A1
SCHEMBL27250286 0.75 HDAC1 (0.40) HCAR1KDM4EPOLBNPSR1ALDH1A1
SCHEMBL29311450 0.74 MAPT (0.39) KDM4EHTR2AHTR2CHTR2BPOLB
SCHEMBL29311509 0.71 MGLL (0.31)
SCHEMBL27446325 0.70 KCNK3 (0.37) HCAR1KDM4EHTR2AHTR2CHTR2B
SCHEMBL29311454 0.67 POLB (0.34) POLBNPSR1
SCHEMBL4654446 0.64 RXRA (0.47) HCAR1KDM4EDDB1CRBNPOLB
SCHEMBL18799544 0.62 MAPT (0.57) KDM4EPOLBGAA
SCHEMBL364380 0.61 GAA (0.42) HCAR1KDM4EDDB1CRBNPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 HCAR1 924/4885KDM4E 3520/4885DDB1 1358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.